cyclohexyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: cyclohexyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: cyclohexyl (E,4S)-4-(tert-butoxycarbonylamino)-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-(tert-butoxycarbonylamino)-7-keto-7-(tritylamino)hept-2-enoic acid cyclohexyl ester Formula: C37H44N2O5 MolecularWeight: 596.75566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=CC(=O)OC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/C(=O)OC4CCCCC4

InChI

InChI=1S/C37H44N2O5/c1-36(2,3)44-35(42)38-31(25-27-34(41)43-32-22-14-7-15-23-32)24-26-33(40)39-37(28-16-8-4-9-17-28,29-18-10-5-11-19-29)30-20-12-6-13-21-30/h4-6,8-13,16-21,25,27,31-32H,7,14-15,22-24,26H2,1-3H3,(H,38,42)(H,39,40)/b27-25+/t31-/m0/s1